methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate

C10H18N4O5 — CID 118928054

IUPACmethyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C10H18N4O5/c1-19-10(18)2-3-12-8(16)5-14-9(17)6-13-7(15)4-11/h2-6,11H2,1H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeySZTVDMXVEPHASH-UHFFFAOYSA-N
MW274.28 g/mol
LogP-3.14
Rot. Bonds8

About methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate

methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate (PubChem CID 118928054) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate
PubChem CID118928054
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C10H18N4O5/c1-19-10(18)2-3-12-8(16)5-14-9(17)6-13-7(15)4-11/h2-6,11H2,1H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeySZTVDMXVEPHASH-UHFFFAOYSA-N
XLogP-3.14
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-3.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate (CID 118928054) is methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CNC(=O)CNC(=O)CN.
What is the InChIKey of methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The InChIKey is SZTVDMXVEPHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-19-10(18)2-3-12-8(16)5-14-9(17)6-13-7(15)4-11/h2-6,11H2,1H3,(H,12,16)(H,13,15)(H,14,17).
What are the key properties of methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate has a molecular weight of 274.28 g/mol, XLogP of -3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 118928054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).